3-[[4-[(2-chlorophenyl)amino]-3,5-dinitro-phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[(2-chlorophenyl)amino]-3,5-dinitro-phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]benzoic acid CAS Name: 3-[[[4-(2-chloroanilino)-3,5-dinitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-(2-chloroanilino)-3,5-dinitrobenzoyl]amino]benzoic acid Traditional Name: 3-[[4-(2-chloroanilino)-3,5-dinitro-benzoyl]amino]benzoic acid Formula: C20H13ClN4O7 MolecularWeight: 456.79282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN4O7/c21-14-6-1-2-7-15(14)23-18-16(24(29)30)9-12(10-17(18)25(31)32)19(26)22-13-5-3-4-11(8-13)20(27)28/h1-10,23H,(H,22,26)(H,27,28)